| CAS Number | 2036044-77-4 |
| Catalog Number | AG01EO6G(AGN-PC-3H4684) |
| Chemical Name | Porcupine-In-1 |
| IUPAC Name | N-[[5-fluoro-6-(2-methylpyridin-4-yl)pyridin-3-yl]methyl]-9H-carbazole-2-carboxamide |
| InChI | InChI=1S/C25H19FN4O/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(31)18-6-7-20-19-4-2-3-5-22(19)30-23(20)12-18/h2-13,30H,14H2,1H3,(H,29,31) |
| InChI Key | GOMFFTZBKYVUOE-UHFFFAOYSA-N |
| MDL Number | MFCD31630804 |
| Molecular Formula | C25H19FN4O |
| Molecular Weight | 410.4430 |
| SMILES | O=C(C1=CC(NC2=C3C=CC=C2)=C3C=C1)NCC4=CN=C(C5=CC(C)=NC=C5)C(F)=C4 |
| Synonyms | Porcupine-IN-1,
2036044-77-4,
CHEMBL3972086,
PORCN-IN-1,
EX-A1878,
BDBM50197277,
HY-111472,
AK00779576,
CS-0041562,
J3.568.978H,
N-((3-fluoro-2'-methyl-[2,4'-bipyridin]-5-yl)methyl)-9H-carbazole-2-carboxamide,
N-(3-Fluoro-2'-methyl-2,4'-bipyridine-5-ylmethyl)-9H-carbazole-2-carboxamide,
|
| Complexity | 633 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.452g/mol |
| Monoisotopic Mass | 410.154g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number